Enoch, S.J.; Cronin, M.T.D.; Schultz, T.W.; Madden, J.C. An evaluation of global QSAR models for the prediction of the toxicity of phenols to Tetrahymena pyriformis. Chemosphere 2008, 71, 7, 1225–1232.

138 compounds | Property pIGC50: 40-h Tetrahymena toxicity as log(1/IGC50) [log(L/mol)] i

ID	Name	pIGC50	Details
1	4-hydroxyphenylacetic acid	-1.5	View
2	3-hydroxybenzyl alcohol	-1.04	View
3	4-Hydroxybenzoic acid	-1.02	View
4	3-hydroxy-4-methoxybenzyl alcohol	-0.99	View
5	4-hydroxy-3-methoxybenzylamine	-0.97	View
6	4-hydroxyphenethyl alcohol	-0.83	View
7	3-hydroxybenzoic acid	-0.81	View
8	4-hydroxybenzamide	-0.78	View
9	4-hydroxy-3-methoxybenzyl alcohol	-0.7	View
10	2,6-dimethoxyphenol	-0.6	View
11	2,4,6-tris(dimethylaminomethyl)phenol	-0.52	View
12	salicylic acid	-0.51	View
13	2-methoxyphenol	-0.51	View
14	5-methylbenzene-1,3-diol	-0.39	View
15	2-(4-hydroxyphenyl)acetonitrile	-0.38	View
16	1-(3-hydroxyphenyl)ethanone	-0.38	View
17	2-ethoxyphenol	-0.36	View
18	1-(4-hydroxyphenyl)ethanone	-0.3	View
19	3-ethoxy-4-methoxyphenol	-0.3	View
20	2-methylphenol	-0.3	View
21	2-hydroxybenzamide	-0.24	View
22	phenol	-0.21	View
23	4-methylphenol	-0.18	View
24	4-hydroxy-3-methoxyphenethyl alcohol	-0.18	View
25	N-(3-hydroxyphenyl)acetamide	-0.16	View
26	3-hydroxy-4-methoxybenzaldehyde	-0.14	View
27	1-(4-hydroxy-3-methoxyphenyl)ethanone	-0.12	View
28	3,5-dimethoxyphenol	-0.09	View
29	2-hydroxyethyl salicylate	-0.08	View
30	3-methylphenol	-0.06	View
31	methyl-3-hydroxybenzoate	-0.05	View
32	4-hydroxy-3-methoxybenzaldehyde	-0.03	View
33	4-hydroxy-3-methoxybenzonitrile	-0.03	View
34	3-ethoxy-4-hydroxybenzaldehyde	0.02	View
35	4-fluorophenol	0.02	View
36	2-cyanophenol	0.03	View
37	5-fluoro-2-hydroxyacetophenone	0.04	View
38	2,4-dimethylphenol	0.07	View
39	2-tert-butyl-4,6-dimethylphenol	0.08	View
40	2,5-dimethylphenol	0.08	View
41	methyl-4-hydroxybenzoate	0.08	View
42	3,5-dimethylphenol	0.11	View
43	3'-hydroxypropiophenone	0.12	View
44	2,3-dimethylphenol	0.12	View
45	3,4-dimethylphenol	0.12	View
46	2-ethylphenol	0.16	View
47	syringaldehyde	0.17	View
48	salicylhydrazide	0.18	View
49	2-chlorophenol	0.18	View
50	4-hydroxy-2-methylacetophenone	0.19	View
51	4-ethylphenol	0.21	View
52	3-ethylphenol	0.23	View
53	salicylaldoxime	0.25	View
54	2,3,6-trimethylphenol	0.28	View
55	2,4,6-trimethylphenol	0.28	View
56	2-hydroxy-5-methylacetophenone	0.31	View
57	2-bromophenol	0.33	View
58	5-bromo-2-hydroxybenzyl alcohol	0.34	View
59	2,3,5-trimethylphenol	0.36	View
60	2-hydroxy-3-methoxybenzaldehyde	0.38	View
61	salicylhydroxamic acid	0.38	View
62	2-chloro-5-methylphenol	0.39	View
63	2-methoxy-4-prop-2-enylphenol	0.42	View
64	2-hydroxybenzaldehyde	0.42	View
65	2,6-difluorophenol	0.47	View
66	ethyl-3-hydroxybenzoate	0.48	View
67	4-cyanophenol	0.52	View
68	4-propyloxyphenol	0.52	View
69	4-chlorophenol	0.55	View
70	ethyl-4-hydroxybenzoate	0.57	View
71	5-methyl-2-nitrophenol	0.59	View
72	2-bromo-4-methylphenol	0.6	View
73	2,4-difluorophenol	0.6	View
74	3-isopropylphenol	0.61	View
75	5-bromovanillin	0.62	View
76	alpha,alpha,alpha-trifluoro-p-cresol	0.62	View
77	methyl-4-methoxysalicylate	0.62	View
78	4-bromophenol	0.68	View
79	2-chloro-4,5-dimethylphenol	0.69	View
80	4-butoxyphenol	0.7	View
81	4-chloro-2-methylphenol	0.7	View
82	3-tert-butylphenol	0.73	View
83	2,6-dichlorophenol	0.74	View
84	2-methoxy-4-propenylphenol	0.75	View
85	3-chloro-5-methoxyphenol	0.76	View
86	4-chloro-3-methylphenol	0.8	View
87	2-isopropylphenol	0.8	View
88	2,6-dichloro-4-fluorophenol	0.8	View
89	4-iodophenol	0.85	View
90	2,2'-biphenol	0.88	View
91	4-tert-butylphenol	0.91	View
92	3,4,5-trimethylphenol	0.93	View
93	2,2',4,4'-tetrahydroxybenzophenone	0.96	View
94	4-sec-butylphenol	0.98	View
95	3-hydroxydiphenylamine	1.01	View
96	4-hydroxybenzophenone	1.02	View
97	2,4-dichlorophenol	1.04	View
98	2,4,6-tribromoresorcinol	1.06	View
99	1-(4-hydroxyphenyl)-2-phenylethanone	1.07	View
100	4-chloro-3-ethylphenol	1.08	View
101	2-phenylphenol	1.09	View
102	2,5-dichlorophenol	1.13	View
103	3-chloro-4-fluorophenol	1.13	View
104	3-bromophenol	1.15	View
105	6-tert-butyl-2,4-dimethylphenol	1.16	View
106	4-chloro-3,5-dimethylphenol	1.2	View
107	2-hydroxybenzophenone	1.23	View
108	4-tert-pentylphenol	1.23	View
109	4-bromo-3,5-dimethylphenol	1.27	View
110	4-bromo-6-chloro-o-cresol	1.28	View
111	p-cyclopentylphenol	1.29	View
112	2-tert-butylphenol	1.3	View
113	2-tert-butyl-4-methylphenol	1.3	View
114	2-hydroxydiphenylmethane	1.31	View
115	butyl-4-hydroxybenzoate	1.33	View
116	3-phenylphenol	1.35	View
117	4-pentoxyphenol	1.36	View
118	2,4-dibromophenol	1.4	View
119	2,4,6-trichlorophenol	1.41	View
120	2-hydroxy-4-methoxybenzophenone	1.42	View
121	isoamyl-4-hydroxybenzoate	1.48	View
122	3,5-dichlorosalicylaldehyde	1.55	View
123	4-cyclohexylphenol	1.56	View
124	3,5-dichlorophenol	1.57	View
125	3,5-di-tert-butylphenol	1.64	View
126	3,5-dibromosalicylaldehyde	1.64	View
127	3,4-dichlorophenol	1.75	View
128	4-bromo-2,6-dichlorophenol	1.78	View
129	2,6-ditert-butyl-4-methylphenol	1.8	View
130	4-chloro-2-isopropyl-5-methylphenol	1.85	View
131	2,4,6-tribromophenol	2.03	View
132	4-heptyloxyphenol	2.03	View
133	4-tert-octylphenol	2.1	View
134	4-(4-bromophenyl)phenol	2.31	View
135	3,5-diiodosalicylaldehyde	2.34	View
136	2,3,5-trichlorophenol	2.37	View
137	4-nonylphenol	2.47	View
138	nonyl-4-hydroxybenzoate	2.63	View

Bibliography

Enoch, S. J.; Cronin, M. T. D.; Schultz, T. W.; Madden, J. C. An evaluation of global QSAR models for the prediction of the toxicity of phenols to Tetrahymena pyriformis. Chemosphere 2008, 71, 1225–1232. https://doi.org/10.1016/j.chemosphere.2007.12.011

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Enoch, S.J.; Cronin, M.T.D.; Schultz, T.W.; Madden, J.C. An evaluation of global QSAR models for the prediction of the toxicity of phenols to Tetrahymena pyriformis. Chemosphere 2008, 71, 7, 1225–1232.

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